Works matching AU Monari, Antonio
Results: 72
Resolving the Structure of a Guanine Quadruplex in TMPRSS2 Messenger RNA by Circular Dichroism and Molecular Modeling.
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- Chemistry - A European Journal, 2024, v. 30, n. 71, p. 1, doi. 10.1002/chem.202403572
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- Article
Interaction of the Immune System TIM-3 Protein with a Model Cellular Membrane Containing Phosphatidyl-Serine Lipids.
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- Chemistry - A European Journal, 2024, v. 30, n. 22, p. 1, doi. 10.1002/chem.202304318
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- Article
Electronic Effects in Phosphino‐Iminophosphorane Pd<sup>II</sup> Complexes upon Varying the N Substituent.
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- Chemistry - A European Journal, 2024, v. 30, n. 5, p. 1, doi. 10.1002/chem.202303350
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- Article
G‐Quadruplex Recognition by DARPIns through Epitope/Paratope Analogy**.
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- Chemistry - A European Journal, 2022, v. 28, n. 57, p. 1, doi. 10.1002/chem.202201824
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- Article
The Iron Maiden. Cytosolic Aconitase/IRP1 Conformational Transition in the Regulation of Ferritin Translation and Iron Hemostasis.
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- Biomolecules (2218-273X), 2021, v. 11, n. 9, p. 1329, doi. 10.3390/biom11091329
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- Article
Front Cover: Ultrafast Spectroscopy of Fe(II) Complexes Designed for Solar‐Energy Conversion: Current Status and Open Questions (ChemPhysChem 7/2022).
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- ChemPhysChem, 2022, v. 23, n. 7, p. 1, doi. 10.1002/cphc.202200171
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Ultrafast Spectroscopy of Fe(II) Complexes Designed for Solar‐Energy Conversion: Current Status and Open Questions.
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- ChemPhysChem, 2022, v. 23, n. 7, p. 1, doi. 10.1002/cphc.202100659
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Understanding the Interactions of Guanine Quadruplexes with Peptides as Novel Strategies for Diagnosis or Tuning Biological Functions.
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- ChemBioChem, 2023, v. 24, n. 6, p. 1, doi. 10.1002/cbic.202200624
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- Article
Competing ultrafast photoinduced electron transfer and intersystem crossing of [Re(CO)3(Dmp)(His124)(Trp122)]+ in Pseudomonas aeruginosa azurin: a nonadiabatic dynamics study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 3, p. 1, doi. 10.1007/s00214-020-2555-6
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- Article
Photophysical properties of bichromophoric Fe(II) complexes bearing an aromatic electron acceptor.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2019, v. 138, n. 7, p. N.PAG, doi. 10.1007/s00214-019-2471-9
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Conical intersection properties unraveled by the position spread tensor.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2018, v. 137, n. 12, p. 1, doi. 10.1007/s00214-018-2377-y
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Probing optical properties of thiophene derivatives for two-photon absorption.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 6, p. 1, doi. 10.1007/s00214-017-2094-y
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Fluorene-imidazole dyes excited states from first-principles calculations—Topological insights.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 4, p. 1, doi. 10.1007/s00214-016-1866-0
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Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 3, p. 1, doi. 10.1007/s00214-016-1814-z
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Modeling DNA electronic circular dichroism by QM/MM methods and Frenkel Hamiltonian.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 3, p. 1, doi. 10.1007/s00214-015-1640-8
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Effects of mutations on the absorption spectra of copper proteins: a QM/MM study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2012, v. 131, n. 5, p. 1, doi. 10.1007/s00214-012-1221-z
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Electron localizability and polarizability in tight-binding graphene nanostructures.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2010, v. 126, n. 3/4, p. 257, doi. 10.1007/s00214-009-0700-3
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Asymptotic analysis of the localization spread and polarizability of 1-D noninteracting electrons.
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- International Journal of Quantum Chemistry, 2012, v. 112, n. 3, p. 653, doi. 10.1002/qua.23036
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Full-configuration-interaction study of the metal-insulator transition in a model system: H<sub> n</sub> linear chains n=4, 6,..., 16.
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- International Journal of Quantum Chemistry, 2011, v. 111, n. 13, p. 3416, doi. 10.1002/qua.23047
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High-spin states in tetrahedral X<sub>4</sub> clusters (X = H, Li, Na, K).
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- International Journal of Quantum Chemistry, 2010, v. 110, n. 4, p. 874, doi. 10.1002/qua.21987
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NHC-Based Iron Sensitizers for DSSCs.
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- Inorganics, 2018, v. 6, n. 2, p. 63, doi. 10.3390/inorganics6020063
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Molecular Bases and Specificity behind the Activation of the Immune System OAS/RNAse L Pathway by Viral RNA.
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- Viruses (1999-4915), 2024, v. 16, n. 8, p. 1246, doi. 10.3390/v16081246
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Specific Recognition of the 5′-Untranslated Region of West Nile Virus Genome by Human Innate Immune System.
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- Viruses (1999-4915), 2022, v. 14, n. 6, p. N.PAG, doi. 10.3390/v14061282
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A posteriori localization of many‐body excited states through simultaneous diagonalization.
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- Journal of Computational Chemistry, 2023, v. 44, n. 2, p. 105, doi. 10.1002/jcc.27019
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Computational Chemistry. By Jeremy Harvey. Oxford University Press, 2018. Pp. 152. Price GBP 19.99 (paperback). ISBN 9780198755500.
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- 2018
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- Book Review
An Iron-Based Photosensitizer with Extended Excited-State Lifetime: Photophysical and Photovoltaic Properties.
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- European Journal of Inorganic Chemistry, 2015, v. 2015, n. 14, p. 2469, doi. 10.1002/ejic.201500142
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- Article
Heteroleptic Pyridyl-Carbene Iron Complexes with Tuneable Electronic Properties.
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- European Journal of Inorganic Chemistry, 2014, v. 2014, n. 23, p. 3747, doi. 10.1002/ejic.201402356
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- Article
UV-vis absorption spectrum of a novel Ru(II) complex intercalated in DNA: [Ru(2,2′-bipy)(dppz)(2,2′-ArPy)].
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- Journal of Molecular Modeling, 2014, v. 20, n. 3, p. 1, doi. 10.1007/s00894-014-2082-2
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Insight on the interaction of polychlorobiphenyl with nucleic acid-base.
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- Journal of Molecular Modeling, 2013, v. 19, n. 2, p. 581, doi. 10.1007/s00894-012-1580-3
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Environmentally sensitive fluorescence of the topical retinoid adapalene.
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- Frontiers in Chemistry, 2024, p. 1, doi. 10.3389/fchem.2024.1438751
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- Article
Nucleic Acids under Stress: Understanding and Simulating Nucleobase Fragmentation Pathways.
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- ChemPlusChem, 2021, v. 86, n. 10, p. 1426, doi. 10.1002/cplu.202100323
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- Article
The Behavior of Triplet Thymine in a Model B‐DNA Strand. Energetics and Spin Density Localization Revealed by ab initio Molecular Dynamics Simulations<sup>†</sup>*.
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- Photochemistry & Photobiology, 2022, v. 98, n. 3, p. 633, doi. 10.1111/php.13549
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From non-covalent binding to irreversible DNA lesions: nile blue and nile red as photosensitizing agents.
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- Scientific Reports, 2016, p. 28480, doi. 10.1038/srep28480
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- Article
Bidentate Pyridyl‐NHC Ligands: Synthesis, Ground and Excited State Properties of Their Iron(II) Complexes and the Role of the fac/mer Isomerism.
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- European Journal of Inorganic Chemistry, 2022, v. 2022, n. 7, p. 1, doi. 10.1002/ejic.202100818
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- Article
Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model.
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- Journal of Computational Chemistry, 2014, v. 35, n. 8, p. 611, doi. 10.1002/jcc.23492
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- Article
Photophysics of Acetophenone Interacting with DNA: Why the Road to Photosensitization is Open.
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- Photochemistry & Photobiology, 2015, v. 91, n. 2, p. 323, doi. 10.1111/php.12395
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- Article
Revealing the Molecular Interactions between Human ACE2 and the Receptor Binding Domain of the SARS-CoV-2 Wild-Type, Alpha and Delta Variants.
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- International Journal of Molecular Sciences, 2023, v. 24, n. 3, p. 2517, doi. 10.3390/ijms24032517
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- Article
A Portrait of the Chromophore as a Young System—Quantum-Derived Force Field Unraveling Solvent Reorganization upon Optical Excitation of Cyclocurcumin Derivatives.
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- Molecules, 2024, v. 29, n. 8, p. 1752, doi. 10.3390/molecules29081752
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- Article
Never Cared for What They Do: High Structural Stability of Guanine-Quadruplexes in the Presence of Strand-Break Damage.
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- Molecules, 2022, v. 27, n. 10, p. 3256, doi. 10.3390/molecules27103256
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- Article
E / Z Molecular Photoswitches Activated by Two-Photon Absorption: Comparison between Different Families.
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- Molecules, 2021, v. 26, n. 23, p. 7379, doi. 10.3390/molecules26237379
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- Article
Molecular Mechanisms Associated with Clustered Lesion-Induced Impairment of 8-oxoG Recognition by the Human Glycosylase OGG1.
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- Molecules, 2021, v. 26, n. 21, p. 6465, doi. 10.3390/molecules26216465
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Staring at the Naked Goddess: Unraveling the Structure and Reactivity of Artemis Endonuclease Interacting with a DNA Double Strand.
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- Molecules, 2021, v. 26, n. 13, p. 3986, doi. 10.3390/molecules26133986
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- Article
Solution and Solid-State Photophysical Properties of Positional Isomeric Acrylonitrile Derivatives with Core Pyridine and Phenyl Moieties: Experimental and DFT Studies.
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- Molecules, 2021, v. 26, n. 6, p. 1500, doi. 10.3390/molecules26061500
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- Article
Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties.
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- Molecules, 2020, v. 25, n. 24, p. 5991, doi. 10.3390/molecules25245991
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- Article
Iron's Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex.
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- Molecules, 2020, v. 25, n. 13, p. 3084, doi. 10.3390/molecules25133084
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QM/MM Benchmarking of Cyanobacteriochrome Slr1393g3 Absorption Spectra.
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- Molecules, 2019, v. 24, n. 9, p. 1720, doi. 10.3390/molecules24091720
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Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review †.
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- Molecules, 2019, v. 24, n. 9, p. 1653, doi. 10.3390/molecules24091653
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- Article
Accurate Estimation of the Standard Binding Free Energy of Netropsin with DNA.
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- Molecules, 2018, v. 23, n. 2, p. 228, doi. 10.3390/molecules23020228
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- Article
Targeting G-quadruplexes with Organic Dyes: Chelerythrine–DNA Binding Elucidated by Combining Molecular Modeling and Optical Spectroscopy.
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- Antioxidants, 2019, v. 8, n. 10, p. 472, doi. 10.3390/antiox8100472
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- Article
Human DNA Telomeres in Presence of Oxidative Lesions: The Crucial Role of Electrostatic Interactions on the Stability of Guanine Quadruplexes.
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- Antioxidants, 2019, v. 8, n. 9, p. 337, doi. 10.3390/antiox8090337
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- Article